1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone

C18H20N2O3 — CID 91157437

IUPAC1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-n3c(O)c4c(c3O)CCCC4)cc21
InChIInChI=1S/C18H20N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h6-7,10,22-23H,2-5,8-9H2,1H3
InChIKeyLEMRORMVVDRVEK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds1

About 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone

1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 91157437) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID91157437
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-n3c(O)c4c(c3O)CCCC4)cc21
InChIInChI=1S/C18H20N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h6-7,10,22-23H,2-5,8-9H2,1H3
InChIKeyLEMRORMVVDRVEK-UHFFFAOYSA-N
XLogP2.68
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

6'-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5'-fluoro-1'-prop-2-ynylspiro[cyclopropane-1,3'-indole]-2'-one
CID 53695360
6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-1,3-dihydroindol-2-one
CID 54006338
6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 54437926
1-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluoro-2-hydroxyindol-1-yl]ethanone
CID 54496348
1'-Acetyl-6'-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
CID 54540806
2-(1-Fluoro-2-hydroxyindol-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57272439
2-(3-Fluoro-4-methylphenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91044740
7-[(7R)-3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-trien-4-yl]-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 91405931
6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)spiro[1,2-dihydroindole-3,2'-cyclopropane]-1'-one
CID 53634419
2-[3-(4-Phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53714292
6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 53725300
6'-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-1'-(methoxymethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 53759946

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone (CID 91157437) is 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(-n3c(O)c4c(c3O)CCCC4)cc21.
What is the InChIKey of 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is LEMRORMVVDRVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h6-7,10,22-23H,2-5,8-9H2,1H3.
What are the key properties of 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone?
1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 91157437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).